General Information of the Compound
| Compound ID |
CP0545453
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| Compound Name |
3-[[4-[1-[6-(3-fluoro-4-methoxyphenyl)-3-[2-methoxy-5-(trifluoromethyl)phenyl]indazol-1-yl]pentyl]benzoyl]amino]propanoic acid
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| Structure |
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| Formula |
C37H35F4N3O5
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| Molecular Weight |
677.695
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| Canonical SMILES |
CCCCC(c1ccc(cc1)C(=O)NCCC(O)=O)n1nc(-c2cc(ccc2OC)C(F)(F)F)c2ccc(cc12)-c1ccc(OC)c(F)c1
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| InChI |
InChI=1S/C37H35F4N3O5/c1-4-5-6-30(22-7-9-23(10-8-22)36(47)42-18-17-34(45)46)44-31-20-25(24-12-15-33(49-3)29(38)19-24)11-14-27(31)35(43-44)28-21-26(37(39,40)41)13-16-32(28)48-2/h7-16,19-21,30H,4-6,17-18H2,1-3H3,(H,42,47)(H,45,46)
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| InChIKey |
HQJYRQVEIABKOS-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound